(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide

C16H26N2O3S — CID 99850353

IUPAC(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C16H26N2O3S/c1-13-10-14(2)12-18(11-13)22(20,21)17-9-8-16(19)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13-,14-,16-/m1/s1
InChIKeyAKMRXYSPWSLYTR-IIAWOOMASA-N
MW326.46 g/mol
LogP1.92
Rot. Bonds6

About (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide

(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 99850353) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID99850353
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C16H26N2O3S/c1-13-10-14(2)12-18(11-13)22(20,21)17-9-8-16(19)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13-,14-,16-/m1/s1
InChIKeyAKMRXYSPWSLYTR-IIAWOOMASA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 86928437
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111432382
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide
CID 43461523
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide
CID 103834061
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258297
N-(2-hydroxy-2-phenylethyl)morpholine-4-sulfonamide
CID 43502480
(2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide
CID 98730303
(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124670346

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 99850353) is (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC[C@@H](O)c2ccccc2)C1.
What is the InChIKey of (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is AKMRXYSPWSLYTR-IIAWOOMASA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-10-14(2)12-18(11-13)22(20,21)17-9-8-16(19)15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3/t13-,14-,16-/m1/s1.
What are the key properties of (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide?
(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 99850353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).